(phenylmethyl) 2-[[5-cyano-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[5-cyano-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-27-17-9-7-16(8-10-17)18-11-20(25)24-22(19(18)12-23)29-14-21(26)28-13-15-5-3-2-4-6-15/h2-10,18H,11,13-14H2,1H3,(H,24,25)